SCHEMBL8975602

SCHEMBL8975602

[C-]#[N+]c1ccc(-c2ccc(-c3ccc(C#N)cn3)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HTT P42858 1/20 0.48
KDM1A O60341 1/20 0.43
GRM5 P41594 4/20 0.40
CYP11B1 P15538 1/20 0.39
EGLN2 Q96KS0 1/20 0.38
EGLN1 Q9GZT9 2/20 0.38
VEGFA P15692 1/20 0.38
EGLN3 Q9H6Z9 1/20 0.38
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KCNH2 Q12809 1/20 0.36
P2RX7 Q99572 1/20 0.35
P2RX3 P56373 1/20 0.35
MLNR O43193 1/20 0.35
CTSC P53634 1/20 0.35
PPARG P37231 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8975250 0.95 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8974056 0.92 KDM4E (0.49) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8974215 0.92 KDM1A (0.48) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8975286 0.85 KDM1A (0.43) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9024311 0.85 KDM4E (0.56) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL9021665 0.83 KDM4E (0.61) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8975630 0.82 EGLN2 (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8975406 0.81 EGLN2 (0.37) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL8975445 0.81 KDM1A (0.35) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL13986853 0.81 KDM4E (0.59) KDM4EALDH1A1HPGDL3MBTL1HTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188121-B2 Substituted pyridines as antiparasitic AZA teraryl compounds THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2012-05-29 US disclosed
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS TIDWELL RICHARD R 2011-10-20 US disclosed
US-7964619-B2 Teraryl components as antiparasitic agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2011-06-21 US disclosed
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. 2007-10-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070232621-A1 Linear dicationic terphenyls and their aza analogues as antiparasitic agents TPMT, TYMS, DDT KDM4E 719/4885ALDH1A1 2647/4885HPGD 4029/4885
US-20110257199-A1 NOVEL TERARYL COMPOUNDS AS ANTIPARASITIC AGENTS DDT, ZC3HAV1, MAVS KDM4E 1141/4885ALDH1A1 1910/4885HPGD 3434/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.